Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: PLP_A_5(5CVC) / Model_37(5CVC/A) = [5.0] Download490.5715.59MLSRVVRQILQATVYDVAIETPLEAAPRISQKLNNTIRFKREDLQPVFSFKLRGAYNRISQLPKEQLERGVICASAGNHAQGVALSGQRLGIPAIIVMPSTTPDIKVQAVKRLGGQVVLHGDSFDIANKYAQQRAEAEGLVFIPPYDDELVIAGQGTIANEILRQWRDVEYVFVAVGGGGLIAGVAAYLGDVAPHVKVIGVEYEESACLKAALEANERVVLPHAGLFADGTAVAQIGALPFDIVRLRKSDNSGPIVEPDIVTVNTDEICAAIKDTFDENRSIVEPSGAMALAGIKKYVAEHKISGKNMVSIVCGANMNFDRLRYIAERTELGEQREAIYAVTLSEEKGAFLGFCRALQGRNITEFNYRANNTEEAQVFVGISLKGGDTERHEILEQLKQQNYVVDDLSDDEVAKLHIRYLIGGHANLDDERLFRVEFPERPGALLTFLTRLGPTHNITLFHYRNHGAAEGRVLVGLQATDAKQNPDGLIETLEQISYPYAEITDNVGYKRFLK
Consensus
[pKd Mean = 5.00]		-490
(s=0)		15
(s=0)		MLSRVVRQILQATVYDVAIETPLEAAPRISQKLNNTIRFKREDLQPVFSFKLRGAYNRISQLPKEQLERGVICASAGNHAQGVALSGQRLGIPAIIVMPSTTPDIKVQAVKRLGGQVVLHGDSFDIANKYAQQRAEAEGLVFIPPYDDELVIAGQGTIANEILRQWRDVEYVFVAVGGGGLIAGVAAYLGDVAPHVKVIGVEYEESACLKAALEANERVVLPHAGLFADGTAVAQIGALPFDIVRLRKSDNSGPIVEPDIVTVNTDEICAAIKDTFDENRSIVEPSGAMALAGIKKYVAEHKISGKNMVSIVCGANMNFDRLRYIAERTELGEQREAIYAVTLSEEKGAFLGFCRALQGRNITEFNYRANNTEEAQVFVGISLKGGDTERHEILEQLKQQNYVVDDLSDDEVAKLHIRYLIGGHANLDDERLFRVEFPERPGALLTFLTRLGPTHNITLFHYRNHGAAEGRVLVGLQATDAKQNPDGLIETLEQISYPYAEITDNVGYKRFLK



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
GLU421HB413[C], 1[N],
GLU42O111[C],
GLU422HB311[N], 2[C],
GLU42C111[C],
GLU42CB312[C], 1[N],
ASP43N111[C],
ASP432HB111[C],
ASP43CB111[C],
ASP43H111[C],
ASP43CA111[C],
ASP43HA212[C],
PHE482HB111[C],
PHE48O413[C], 1[O],
PHE48C311[O], 2[C],
PHE481HB211[C], 1[O],
SER49OG811[O], 6[C], 1[N],
SER49N413[C], 1[O],
SER49CB911[O], 7[C], 1[N],
SER49HG911[N], 1[O], 7[C],
SER49H211[C], 1[O],
SER49C611[O], 4[C], 1[N],
SER49CA611[N], 4[C], 1[O],
SER492HB911[N], 7[C], 1[O],
SER49HA711[O], 5[C], 1[N],
SER491HB1112[O], 8[C], 1[N],
SER49O211[O], 1[C],
PHE50C413[C], 1[O],
PHE50HE11518[C], 5[O], 1[P], 1[N],
PHE50HD21313[O], 8[C], 1[P], 1[N],
PHE50HD11211[N], 1[P], 7[C], 3[O],
PHE50CE21511[N], 1[P], 8[C], 5[O],
PHE50CZ1511[N], 1[P], 5[O], 8[C],
PHE50CB1011[N], 2[O], 7[C],
PHE50CD11511[N], 1[P], 5[O], 8[C],
PHE50CA611[N], 4[C], 1[O],
PHE501HB311[C], 1[O], 1[N],
PHE50CE11511[N], 1[P], 8[C], 5[O],
PHE50H1112[O], 8[C], 1[N],
PHE50N911[N], 7[C], 1[O],
PHE50HE21511[N], 1[P], 5[O], 8[C],
PHE50CD21518[C], 5[O], 1[N], 1[P],
PHE50HZ1518[C], 5[O], 1[N], 1[P],
PHE502HB911[N], 6[C], 2[O],
PHE50CG1311[N], 1[P], 3[O], 8[C],
LYS511HE1511[N], 1[P], 8[C], 5[O],
LYS51HA913[O], 5[C], 1[P],
LYS511HG1515[O], 8[C], 1[N], 1[P],
LYS51N911[N], 6[C], 2[O],
LYS51CA714[C], 3[O],
LYS51NZ1518[C], 5[O], 1[N], 1[P],
LYS512HZ1515[O], 8[C], 1[P], 1[N],
LYS51CG1418[C], 4[O], 1[P], 1[N],
LYS511HB711[O], 6[C],
LYS511HZ1518[C], 5[O], 1[N], 1[P],
LYS51CD1418[C], 4[O], 1[P], 1[N],
LYS51CE1518[C], 5[O], 1[N], 1[P],
LYS513HZ1511[P], 1[N], 8[C], 5[O],
LYS512HB613[O], 3[C],
LYS512HD1211[P], 7[C], 4[O],
LYS51CB916[C], 3[O],
LYS511HD1411[P], 1[N], 4[O], 8[C],
LYS512HG1418[C], 4[O], 1[N], 1[P],
LYS512HE1511[N], 1[P], 8[C], 5[O],
LYS51H1011[N], 2[O], 7[C],
SER75HG211[O], 1[C],
SER75OG111[C],
GLY772HA411[O], 3[C],
GLY77N111[O],
GLY77O111[O],
GLY771HA211[C], 1[O],
GLY77CA312[C], 1[O],
GLY77C413[C], 1[O],
ASN78C615[C], 1[O],
ASN78O311[O], 2[C],
ASN78ND21018[C], 1[O], 1[N],
ASN782HB911[O], 7[C], 1[N],
ASN78HA615[C], 1[O],
ASN78H811[N], 1[O], 6[C],
ASN78CB911[O], 7[C], 1[N],
ASN78CG911[O], 7[C], 1[N],
ASN78CA615[C], 1[O],
ASN782HD21111[N], 2[O], 8[C],
ASN781HB1112[O], 8[C], 1[N],
ASN78N611[O], 5[C],
ASN781HD2911[N], 7[C], 1[O],
ASN78OD1711[N], 1[O], 5[C],
HIS791HB1015[C], 4[O], 1[P],
HIS79ND1111[C],
HIS79CB413[C], 1[O],
HIS79CA413[C], 1[O],
HIS79CG111[C],
HIS79N413[C], 1[O],
HIS79C111[O],
HIS79HA413[C], 1[O],
HIS792HB311[O], 2[C],
HIS79HD1311[C], 2[O],
HIS79H711[O], 6[C],
ALA80H111[O],
LYS1062HZ611[O], 5[C],
LYS1061HZ615[C], 1[O],
LYS1063HZ413[C], 1[O],
LYS1061HD111[O],
LYS106NZ411[O], 3[C],
LYS1062HD111[O],
LYS1061HE111[O],
LYS106CE111[O],
LYS106CD111[O],
PRO1452HB513[O], 1[C], 1[P],
PRO145N212[O],
PRO1452HG211[C], 1[O],
PRO145CG411[P], 1[C], 2[O],
PRO145CB513[O], 1[C], 1[P],
PRO1451HG412[O], 1[C], 1[P],
PRO145C714[O], 2[C], 1[P],
PRO145HA412[O], 1[C], 1[P],
PRO145O914[O], 4[C], 1[P],
PRO145CA511[P], 1[C], 3[O],
PRO1451HB1011[P], 5[O], 4[C],
TYR146CG411[P], 3[O],
TYR1462HB712[C], 4[O], 1[P],
TYR146HD1312[O], 1[P],
TYR146CE2111[O],
TYR146CB712[C], 4[O], 1[P],
TYR146N614[O], 1[C], 1[P],
TYR146O411[P], 3[O],
TYR146CA611[P], 1[C], 4[O],
TYR146H311[P], 2[O],
TYR146C413[O], 1[P],
TYR146CD2312[O], 1[P],
TYR146HD2511[C], 3[O], 1[P],
TYR146HA714[O], 2[C], 1[P],
TYR1461HB611[P], 4[O], 1[C],
TYR146CD1311[P], 2[O],
ASP147H212[O],
ASP147N312[O], 1[P],
ASP147HA111[O],
VAL1511HG1413[O], 1[P],
VAL1513HG1413[O], 1[P],
VAL151C111[O],
VAL151CB111[O],
VAL151O111[O],
VAL151HB111[O],
VAL151CG1311[P], 2[O],
VAL1512HG1211[P], 1[O],
ILE152CA111[O],
ILE152N111[O],
ILE1521HG1211[P], 1[O],
ILE152CG1111[O],
ILE1523HD1111[O],
ILE1522HG2111[O],
ILE1522HG1111[O],
ILE152HA111[O],
GLN155OE1111[O],
GLN1551HB211[O], 1[P],
GLN1552HB311[P], 2[O],
GLN155HA111[O],
GLN155CA111[O],
GLN155CG611[P], 1[C], 4[O],
GLN155CB312[O], 1[P],
GLN1552HG711[P], 4[O], 2[C],
GLN1551HE2511[P], 3[O], 1[C],
GLN155CD312[O], 1[P],
GLN1551HG914[C], 4[O], 1[P],
GLN155NE2811[P], 4[O], 3[C],
GLN1552HE2911[P], 4[C], 4[O],
ILE1583HD1111[O],
ILE1581HD1111[O],
VAL174C611[N], 2[O], 3[C],
VAL174CB111[O],
VAL1742HG1813[O], 3[C], 1[P], 1[N],
VAL1743HG1612[C], 3[O], 1[P],
VAL174HB111[O],
VAL174CG1811[N], 1[P], 3[O], 3[C],
VAL174O312[C], 1[O],
VAL1741HG1911[P], 1[N], 3[C], 4[O],
VAL174HA111[C],
VAL174CA111[C],
ALA175C1311[P], 1[N], 4[O], 7[C],
ALA175CA1011[P], 1[N], 2[O], 6[C],
ALA1751HB1011[N], 7[C], 2[O],
ALA175HA714[C], 2[O], 1[N],
ALA175N812[O], 4[C], 1[P], 1[N],
ALA175O1311[P], 1[N], 4[O], 7[C],
ALA1753HB1411[P], 1[N], 4[O], 8[C],
ALA175H714[C], 2[O], 1[N],
ALA1752HB1511[N], 1[P], 5[O], 8[C],
ALA175CB1211[P], 1[N], 2[O], 8[C],
VAL176C1216[C], 4[O], 1[N], 1[P],
VAL1762HG1811[P], 4[O], 3[C],
VAL1761HG1714[O], 2[C], 1[P],
VAL176N1211[P], 1[N], 6[C], 4[O],
VAL176H1015[C], 3[O], 1[N], 1[P],
VAL176O1115[C], 4[O], 1[N], 1[P],
VAL1761HG2814[O], 3[C], 1[P],
VAL1762HG2511[P], 2[O], 2[C],
VAL176HB713[O], 3[C], 1[P],
VAL176CA1115[C], 4[O], 1[N], 1[P],
VAL176CB813[C], 4[O], 1[P],
VAL176HA1211[P], 1[N], 4[O], 6[C],
VAL1763HG1611[C], 4[O], 1[P],
VAL1763HG2211[O], 1[P],
VAL176CG2714[O], 2[C], 1[P],
VAL176CG1712[C], 4[O], 1[P],
GLY177CA1214[O], 6[C], 1[P], 1[N],
GLY1771HA1114[O], 5[C], 1[P], 1[N],
GLY177H1311[P], 1[N], 4[O], 7[C],
GLY177O712[C], 4[O], 1[P],
GLY177C1011[P], 4[O], 5[C],
GLY177N1317[C], 4[O], 1[N], 1[P],
GLY1772HA1411[P], 1[N], 5[O], 7[C],
GLY1782HA914[O], 4[C], 1[P],
GLY178CA813[C], 4[O], 1[P],
GLY178N1014[O], 5[C], 1[P],
GLY178C714[O], 2[C], 1[P],
GLY178H1211[N], 1[P], 6[C], 4[O],
GLY178O611[C], 4[O], 1[P],
GLY1781HA611[P], 1[C], 4[O],
GLY1792HA614[O], 1[C], 1[P],
GLY179C611[P], 4[O], 1[C],
GLY179H1011[P], 4[O], 5[C],
GLY179O611[C], 4[O], 1[P],
GLY1791HA711[P], 2[C], 4[O],
GLY179CA711[P], 2[C], 4[O],
GLY179N914[C], 4[O], 1[P],
GLY180C714[O], 2[C], 1[P],
GLY180N814[O], 3[C], 1[P],
GLY180H914[O], 4[C], 1[P],
GLY180CA611[C], 4[O], 1[P],
GLY180O514[O], 1[P],
GLY1802HA811[P], 3[C], 4[O],
GLY1801HA511[P], 4[O],
LEU1812HD21515[O], 8[C], 1[P], 1[N],
LEU1812HD11314[O], 7[C], 1[N], 1[P],
LEU181CD21518[C], 5[O], 1[P], 1[N],
LEU181O413[O], 1[P],
LEU1811HD21518[C], 5[O], 1[P], 1[N],
LEU181HG1011[P], 1[N], 4[O], 4[C],
LEU181CA1015[C], 4[O], 1[P],
LEU181CG1311[N], 1[P], 7[C], 4[O],
LEU1811HB1511[P], 1[N], 5[O], 8[C],
LEU1811HD1711[P], 3[O], 3[C],
LEU181HA811[P], 3[C], 4[O],
LEU1813HD1811[P], 1[N], 3[C], 3[O],
LEU1812HB1317[C], 4[O], 1[P], 1[N],
LEU181H1211[N], 1[P], 6[C], 4[O],
LEU181N1011[P], 4[O], 5[C],
LEU1813HD21311[N], 1[P], 3[O], 8[C],
LEU181CB1311[N], 1[P], 7[C], 4[O],
LEU181C714[O], 2[C], 1[P],
LEU181CD11013[O], 5[C], 1[N], 1[P],
ILE1822HG2311[P], 2[O],
ILE1823HG2413[O], 1[P],
ILE182CG2511[P], 4[O],
ILE182H813[C], 4[O], 1[P],
ILE182C312[O], 1[P],
ILE182HB611[P], 1[C], 4[O],
ILE1822HG1111[O],
ILE182HA411[P], 3[O],
ILE1821HD1111[O],
ILE182N714[O], 2[C], 1[P],
ILE1822HD1111[O],
ILE1821HG2611[P], 1[C], 4[O],
ILE182CD1111[O],
ILE182CB513[O], 1[C], 1[P],
ILE182CG1111[O],
ILE1821HG1111[O],
ILE182CA411[P], 3[O],
ALA1832HB312[O], 1[P],
ALA183CA111[O],
ALA183H511[P], 4[O],
ALA1831HB312[O], 1[P],
ALA183CB212[O],
ALA183N311[P], 2[O],
GLY184N111[O],
GLY184H311[P], 2[O],
VAL185H111[O],
VAL201O311[O], 2[C],
GLU2022HG111[O],
TYR203HE1511[N], 4[C],
LEU2091HD2211[O], 1[P],
LEU2091HB111[O],
LEU2092HD2111[O],
LEU2093HD2111[O],
LEU209CD2111[O],
LEU2092HD1111[O],
ALA228O311[N], 2[C],
ALA228HA111[C],
ALA228CB111[N],
ALA2283HB716[C], 1[N],
ASP229OD2411[O], 3[C],
ASP229OD1111[C],
ASP229O615[C], 1[O],
ASP229CG211[C], 1[O],
ASP229C911[N], 1[O], 7[C],
ASP229H111[C],
GLY230C1411[P], 1[N], 8[C], 4[O],
GLY230N1018[C], 1[O], 1[N],
GLY230O1515[O], 8[C], 1[N], 1[P],
GLY230H1011[N], 8[C], 1[O],
GLY2302HA1311[P], 1[N], 3[O], 8[C],
GLY230CA1318[C], 3[O], 1[P], 1[N],
GLY2301HA1218[C], 3[O], 1[N],
THR2311HG21511[P], 1[N], 8[C], 5[O],
THR231H1018[C], 1[O], 1[N],
THR231CB1213[O], 7[C], 1[N], 1[P],
THR2313HG21111[N], 2[O], 8[C],
THR231CA1418[C], 4[O], 1[N], 1[P],
THR231HG1411[N], 3[C],
THR231N1411[N], 1[P], 4[O], 8[C],
THR2312HG21411[N], 1[P], 8[C], 4[O],
THR231HA1515[O], 8[C], 1[P], 1[N],
THR231HB1111[P], 1[N], 3[O], 6[C],
THR231OG1615[C], 1[N],
THR231C815[C], 3[O],
THR231CG21411[N], 1[P], 4[O], 8[C],
THR231O311[O], 2[C],
ALA232H816[C], 2[O],
ALA232C111[O],
ALA232N514[C], 1[O],
VAL233C212[O],
VAL233CA312[O], 1[P],
VAL233HA111[O],
VAL2332HG1811[P], 3[O], 4[C],
VAL233CG2911[P], 4[O], 4[C],
VAL233CG1811[P], 4[O], 3[C],
VAL2331HG21111[P], 4[O], 6[C],
VAL233O212[O],
VAL233CB712[C], 4[O], 1[P],
VAL233N512[O], 2[C], 1[P],
VAL233H813[O], 4[C], 1[P],
VAL2331HG1211[C], 1[O],
VAL233HB412[O], 1[C], 1[P],
VAL2333HG1914[C], 4[O], 1[P],
VAL2332HG2914[C], 4[O], 1[P],
VAL2333HG21015[C], 4[O], 1[P],
ALA234N111[O],
ALA234C212[O],
ALA234H111[O],
ALA234O312[O], 1[P],
ILE236CA212[O],
ILE236CG1111[O],
ILE236N111[O],
ILE2361HD1413[O], 1[P],
ILE236H212[O],
ILE2362HG2111[O],
ILE2363HD1311[P], 2[O],
ILE236CD1413[O], 1[P],
ILE2362HD1413[O], 1[P],
ILE2361HG1111[O],
ILE236HA413[O], 1[P],
GLY237H212[O],
PRO2402HB411[P], 3[O],
PRO2401HB413[O], 1[P],
PRO2402HG413[O], 1[P],
PRO2401HG411[P], 3[O],
PRO240CB411[P], 3[O],
PRO240CG413[O], 1[P],
VAL244CG2111[O],
VAL2442HG2111[O],
VAL2443HG2111[O],
VAL2441HG2111[O],
VAL283HB111[C],
VAL283HA111[C],
VAL283C111[C],
GLU284HA111[C],
GLU284O312[C], 1[N],
GLU2842HG816[C], 1[O], 1[N],
GLU284CA212[C],
GLU284OE1911[N], 1[O], 7[C],
GLU284CD911[N], 7[C], 1[O],
GLU284OE2911[N], 7[C], 1[O],
GLU284N111[C],
GLU2841HB511[N], 3[C], 1[O],
GLU284H312[C], 1[N],
GLU2841HG711[O], 5[C], 1[N],
GLU284CG711[N], 1[O], 5[C],
GLU284CB511[N], 3[C], 1[O],
GLU284C311[N], 2[C],
GLU2842HB312[C], 1[O],
PRO285CD111[C],
PRO285O312[C], 1[N],
PRO285CA111[C],
PRO2851HD111[C],
PRO285C311[N], 2[C],
PRO285N111[C],
SER286CB1111[N], 8[C], 2[O],
SER286N711[N], 5[C], 1[O],
SER286CA911[N], 7[C], 1[O],
SER286HA911[O], 7[C], 1[N],
SER286O911[N], 7[C], 1[O],
SER286C911[N], 7[C], 1[O],
SER286H811[O], 6[C], 1[N],
SER286HG1118[C], 2[O], 1[N],
SER286OG1011[N], 1[O], 8[C],
SER2862HB1111[N], 2[O], 8[C],
SER2861HB1111[N], 8[C], 2[O],
GLY287C413[C], 1[N],
GLY2871HA911[N], 1[O], 7[C],
GLY287O413[C], 1[N],
GLY287CA811[N], 1[O], 6[C],
GLY2872HA711[N], 5[C], 1[O],
GLY287H811[N], 1[O], 6[C],
GLY287N811[N], 6[C], 1[O],
ALA288H411[N], 3[C],
ALA288N312[C], 1[N],
MET2892HG411[N], 3[C],
MET289N111[N],
MET289H411[N], 3[C],
MET289SD312[C], 1[N],
MET2891HB411[N], 3[C],
MET289CG211[C], 1[N],
MET289CB211[C], 1[N],
ALA290H111[N],
ILE311CG2211[C], 1[N],
ILE311O413[C], 1[N],
ILE3111HG2514[C], 1[N],
ILE311C111[N],
ILE311HB211[N], 1[C],
ILE3113HG2413[C], 1[N],
VAL312HA413[C], 1[N],
VAL312CA211[N], 1[C],
VAL3122HG1111[C],
VAL3121HG1211[N], 1[C],
VAL312O311[N], 2[C],
VAL312C411[N], 3[C],
CYS3131HB1111[N], 2[O], 8[C],
CYS313H811[N], 6[C], 1[O],
CYS313C1011[N], 8[C], 1[O],
CYS313CA1111[N], 2[O], 8[C],
CYS313CB1218[C], 2[O], 1[N], 1[P],
CYS313O1118[C], 2[O], 1[N],
CYS313N811[N], 1[O], 6[C],
CYS3132HB1414[O], 8[C], 1[P], 1[N],
CYS313HA1011[N], 7[C], 2[O],
CYS313SG1411[P], 1[N], 4[O], 8[C],
GLY314CA811[N], 6[C], 1[O],
GLY314C611[O], 4[C], 1[N],
GLY314N811[N], 6[C], 1[O],
GLY3141HA711[N], 1[O], 5[C],
GLY314H811[N], 6[C], 1[O],
GLY3142HA917[C], 1[O], 1[N],
GLY314O513[C], 1[O], 1[N],
ALA315N511[N], 3[C], 1[O],
ALA315CB111[C],
ALA315CA111[C],
ALA315H511[N], 3[C], 1[O],
ALA3151HB111[C],
ALA315C111[C],
ALA315HA111[C],
ASN316ND2311[O], 2[C],
ASN3161HB413[C], 1[O],
ASN3162HB211[C], 1[O],
ASN316H511[O], 3[C], 1[N],
ASN3162HD2413[C], 1[O],
ASN316CA111[C],
ASN316O211[O], 1[C],
ASN316CG211[C], 1[O],
ASN316CB211[O], 1[C],
ASN316N311[O], 2[C],
ASN316C111[C],
ASN3161HD2211[O], 1[C],
Total = 461



Download csv file of statistical distribution of contacts